CID 394294

Nsc697661

Structural Information

Molecular Formula
C11H11N5O
SMILES
CN1C=CC(=N1)C2=CN(C3=CC=NN3C2=O)C
InChI
InChI=1S/C11H11N5O/c1-14-7-8(9-4-6-15(2)13-9)11(17)16-10(14)3-5-12-16/h3-7H,1-2H3
InChIKey
YKZBXCMMNQCGPN-UHFFFAOYSA-N
Compound name
4-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10364 149.8
[M+Na]+ 252.08558 163.9
[M-H]- 228.08908 153.0
[M+NH4]+ 247.13018 166.3
[M+K]+ 268.05952 159.3
[M+H-H2O]+ 212.09362 140.6
[M+HCOO]- 274.09456 171.5
[M+CH3COO]- 288.11021 163.4
[M+Na-2H]- 250.07103 154.1
[M]+ 229.09581 154.5
[M]- 229.09691 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.